SCHEMBL758701

SCHEMBL758701

CC(C)(CO)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 4/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20102860 0.95 NAALAD2 (0.42) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL11529406 0.86 NAALAD2 (0.50) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL5461799 0.85 NAALAD2 (0.42) NAALAD2ALDH1A1MEN1CYP1A2THRB
Succinic Acid SCHEMBL8832713 0.83 EGLN1 (0.53) NAALAD2FFAR1CPT2TDP1LMNA
Hydrochloric Acid SCHEMBL31279551 0.83 NAALAD2 (0.48) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL6465628 0.83 FFAR1 (0.52) ALDH1A1MEN1KMT2AFFAR1CPT2
SCHEMBL31565174 0.82 NAALAD2 (0.43) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL7083650 0.81 FFAR1 (0.56) ALDH1A1MEN1KMT2AFFAR1CPT2
SCHEMBL13168811 0.81 NAALAD2 (0.46) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL14391866 0.80 NAALAD2 (0.35) NAALAD2ALDH1A1MEN1CYP1A2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-3069612-A2 DITHIOL COMPOUNDS, DERIVATIVES, AND USES THEREFOR Encore Health, LLC (US) 2016-09-21 EP disclosed
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENT -RUN FÜR GESUNDHEIT UND (DE) 2015-02-05 US disclosed
EP-2736331-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-04 EP disclosed
EP-2463282-B1 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis NOVARTIS AG (CH) 2013-08-07 EP disclosed
EP-2463282-B1 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis NOVARTIS AG (CH) 2013-08-07 EP disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2207775-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS Novartis Ag (CH) 2010-07-21 EP disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
WO-2009059943-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-05-14 WO disclosed
WO-2009059943-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-05-14 WO disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 US disclosed
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 CN disclosed
WO-2007071691-A1 3- (4-{ [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL] 0XY} PHENYL) -1-PIPERIDINYL] CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
US-5155237-A Heating low molecular weight polylactones in presence of alkali metal, ammonium or phosphonium cations E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 NAALAD2 2689/4885ALDH1A1 2907/4885MEN1 2548/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 NAALAD2 2689/4885ALDH1A1 2907/4885MEN1 2548/4885
US-20090118287-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 NAALAD2 2957/4885ALDH1A1 1701/4885MEN1 3216/4885
US-20150038333-A1 PLANT PROTECTIVE COMPOSITION CONTAINING ALPHA-HYDROXY ACIDS HAO1, HAAO, HAO2 NAALAD2 930/4885ALDH1A1 780/4885MEN1 3786/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP NAALAD2 459/4885ALDH1A1 3285/4885MEN1 58/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.